CID 145915783

1872768-25-6

Structural Information

Molecular Formula
C10H17NOS
SMILES
CSCCC(=O)N1CCC(=C)CC1
InChI
InChI=1S/C10H17NOS/c1-9-3-6-11(7-4-9)10(12)5-8-13-2/h1,3-8H2,2H3
InChIKey
UBKGTARQYKTXDC-UHFFFAOYSA-N
Compound name
1-(4-methylidenepiperidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11037 145.0
[M+Na]+ 222.09231 150.3
[M-H]- 198.09581 146.4
[M+NH4]+ 217.13691 163.4
[M+K]+ 238.06625 147.7
[M+H-H2O]+ 182.10035 138.6
[M+HCOO]- 244.10129 157.9
[M+CH3COO]- 258.11694 183.5
[M+Na-2H]- 220.07776 144.6
[M]+ 199.10254 143.4
[M]- 199.10364 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.